3-(3-methoxypropoxy)pyrrolidine hydrochloride

• ChemBase ID: 47156
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: N1CCC(OCCCOC)C1.Cl
• Canonical SMILES: COCCCOC1CNCC1.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-10-5-2-6-11-8-3-4-9-7-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: ZPUSIUPYGAVONM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxypropoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(3-methoxypropoxy)pyrrolidine hydrochloride
• Synonyms: 3-(3-Methoxypropoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD13561038
• PubChem SID: 162051919
• PubChem CID: 53409278

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5128384
• LogD (pH = 7.4): -3.1319053
• Log P: -0.2786679
• Molar Refractivity: 44.2124 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false